N-(3-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N4O3S/c1-28-11-5-10-25-20(27)17-8-2-3-9-18(17)24-21(25)29-14-19(26)23-16-7-4-6-15(12-16)13-22/h2-4,6-9,12H,5,10-11,14H2,1H3,(H,23,26)